4ES8

Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P212121

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979420, 0.95369, 0.97941
Spacegroup name	P 21 21 21
Unit cell lengths	60.270, 117.780, 85.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.580
R-factor	0.1517
Rwork	0.150
R-free	0.18120
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	SHARP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.803	19.880	1.660
High resolution limit [Å]	1.579	4.990	1.580
Rmerge		0.026	0.457
Total number of observations		58871	137780
Number of reflections	83319
<I/σ(I)>	35.1	24	1.7
Completeness [%]	98.7	98.5	91.6
Redundancy	20.4	20.6	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	25 % (w/v) PEG3350, 400 mM K Acetate, pH 7.4, 0.02 MG/ML CHYMOTRYPSIN (Type VII, TLCK-treated, Sigma-Aldrich), temperature 291K, VAPOR DIFFUSION, HANGING DROP